Ta3Co7Os2
Alexandria ALEXAlex-ID: agm024361111 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_54_spg12
TaCo3 Os TaCoOs
2025-05-15 23:12:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024361111).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm024361111
data_agm024361111
_cell_length_a 8.41141
_cell_length_b 8.41141
_cell_length_c 8.41141
_cell_angle_alpha 32.96180
_cell_angle_beta 32.96180
_cell_angle_gamma 32.96180
_cell_volume 156.76608
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ta1 Ta 0.00000 0.00000 0.00000 1.00000
Ta2 Ta 0.13799 0.13799 0.13799 1.00000
Ta3 Ta 0.86201 0.86201 0.86201 1.00000
Co1 Co 0.50000 0.50000 0.50000 1.00000
Co2 Co 0.08386 0.58919 0.58919 1.00000
Co3 Co 0.58919 0.58919 0.08386 1.00000
Co4 Co 0.58919 0.08386 0.58919 1.00000
Co5 Co 0.91614 0.41081 0.41081 1.00000
Co6 Co 0.41081 0.91614 0.41081 1.00000
Co7 Co 0.41081 0.41081 0.91614 1.00000
Os1 Os 0.33479 0.33479 0.33479 1.00000
Os2 Os 0.66521 0.66521 0.66521 1.00000
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